SCHEMBL8972846

SCHEMBL8972846

CC[C@]1(C(=O)O)CC(=O)CN1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.42
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
GRM6 O15303 1/20 0.37
CYP2C19 P33261 4/20 0.36
CYP2D6 P10635 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B2 P19099 1/20 0.36
AMPD2 Q01433 1/20 0.35
NTRK1 P04629 1/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
CTRC Q99895 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8376385 0.78 LMNA (0.39) ELANENPSR1CASP3CYP2C19CYP2D6
SCHEMBL2769832 0.78 CYP2D6 (0.44) ELANENPSR1CYP2C19CYP2D6POLB
SCHEMBL30067766 0.75 CYP2D6 (0.44) CYP2D6KMT2ATSHR
SCHEMBL21244555 0.75 GAA (0.47) ELANENPSR1GAAPOLBKMT2A
SCHEMBL8973187 0.74 GRM6 (0.40) ELANEGRM6KMT2A
SCHEMBL30695258 0.74 ELANE (0.44) ELANENPSR1GAAGRM6CYP2C19
Hydrochloric Acid SCHEMBL4275993 0.72 SIGMAR1 (0.45) GAACYP2D6KMT2ALMNATSHR
SCHEMBL2821608 0.71 LMNA (0.36) NPSR1LMNA
SCHEMBL10384157 0.70 AMPD2 (0.46) ELANEPOLBAMPD2
Hydrochloric Acid SCHEMBL10383420 0.69 AMPD2 (0.45) ELANEPOLBAMPD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996015108-A1 PYRROLIDINYL DI-CARBOXYLIC ACID DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 1996-05-23 WO disclosed
EP-0703218-A1 Pyrrolidinyl di-carboxylic acid derivatives as metabotropic glutamate receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed